Nombre: 4-({[5-(9-[{(2R)-[8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl]-2-hydroxyethyl}amino]nonyl)-2-phenylphenyl]carbamoyl}oxy)-1,1-dimethylpiperidin-1-ium trifluoroacetate
IUPAC: (1,1-dimethylpiperidin-1-ium-4-yl) N-[5-[9-[[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]nonyl]-2-phenylphenyl]carbamate;2,2,2-trifluoroacetate
SMILES:
C[N+]1(C)CCC(OC(=O)Nc2cc(CCCCCCCCCNC[C@H](O)c3ccc(OCc4ccccc4)c4[nH]c(=O)ccc34)ccc2-c2ccccc2)CC1.O=C([O-])C(F)(F)FCanonical SMILES:
C[N+]1(CCC(CC1)OC(=O)NC2=C(C=CC(=C2)CCCCCCCCCNCC(C3=C4C=CC(=O)NC4=C(C=C3)OCC5=CC=CC=C5)O)C6=CC=CC=C6)C.C(=O)(C(F)(F)F)[O-]Fórmula molecular: C49H59F3N4O7
Masa molecular: 873.00
InChIKey: UZJQXSADCPEKGQ-SXWPEPABSA-N
InChI:
PubChem CID: 66597913 →InChI=1S/C47H58N4O5.C2HF3O2/c1-51(2)30-27-38(28-31-51)56-47(54)49-42-32-35(21-22-39(42)37-19-13-9-14-20-37)16-10-6-4-3-5-7-15-29-48-33-43(52)40-23-25-44(46-41(40)24-26-45(53)50-46)55-34-36-17-11-8-12-18-36;3-2(4,5)1(6)7/h8-9,11-14,17-26,32,38,43,48,52H,3-7,10,15-16,27-31,33-34H2,1-2H3,(H-,49,50,53,54);(H,6,7)/t43-;/m0./s1Sinónimos
4-({[5-(9-[{(2R)-[8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl]-2-hydroxyethyl}amino]nonyl)-2-phenylphenyl]carbamoyl}oxy)-1,1-dimethylpiperidin-1-ium trifluoroacetateSCHEMBL101897
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